N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitrobenzamide
N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0053 |
| Compound Name: | N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C16 H17 Cl N4 O5 S |
| Smiles: | CC(C)(C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.062 |
| logD: | 2.0179 |
| logSw: | -3.3507 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.05 |
| InChI Key: | RWRRWICJOOQGCR-UHFFFAOYSA-N |